ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate

C12H16N4O2 — CID 103200782

IUPACethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(C)c(CN)c(C)nc2n1
InChIInChI=1S/C12H16N4O2/c1-4-18-11(17)10-6-16-8(3)9(5-13)7(2)14-12(16)15-10/h6H,4-5,13H2,1-3H3
InChIKeyXHLRDELVXANAEX-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.98
Rot. Bonds3

About ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate

ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 103200782) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID103200782
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(C)c(CN)c(C)nc2n1
InChIInChI=1S/C12H16N4O2/c1-4-18-11(17)10-6-16-8(3)9(5-13)7(2)14-12(16)15-10/h6H,4-5,13H2,1-3H3
InChIKeyXHLRDELVXANAEX-UHFFFAOYSA-N
XLogP0.98
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200773
ethyl 2-(aminomethyl)-1-methylimidazole-4-carboxylate
CID 117272800
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200760
ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200745
ethyl 5-oxo-1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200797
ethyl 5-(2,5-dimethylfuran-3-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200741
sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide
CID 159405801
ethyl 1-methyl-2-nitroimidazole-4-carboxylate
CID 69328593
ethyl 1-phenyl-2-(trifluoromethyl)imidazole-4-carboxylate
CID 170628931
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992764
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 11508829

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate (CID 103200782) is ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(C)c(CN)c(C)nc2n1.
What is the InChIKey of ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is XHLRDELVXANAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-18-11(17)10-6-16-8(3)9(5-13)7(2)14-12(16)15-10/h6H,4-5,13H2,1-3H3.
What are the key properties of ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 248.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).